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PubMed code 19027294

Compile data set for download or QSAR
Found 80 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254594
PNG
(2-(4-(3-(dibutylcarbamoyl)-5-methyl-1H-pyrazol-1-y...)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(OCC(O)=O)cc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C31H38N4O5/c1-4-6-15-33(16-7-5-2)31(39)27-18-22(3)35(32-27)28-13-12-25(40-21-29(36)37)19-26(28)30(38)34-17-14-23-10-8-9-11-24(23)20-34/h8-13,18-19H,4-7,14-17,20-21H2,1-3H3,(H,36,37)
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n/an/a 10n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254593
PNG
(1-[2-(3,4-Dihydro-1H-isoquinoline-2-carbonyl)-4-(2...)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(OCC(=O)c2ccccc2)cc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C37H42N4O4/c1-4-6-20-39(21-7-5-2)37(44)33-23-27(3)41(38-33)34-18-17-31(45-26-35(42)29-14-9-8-10-15-29)24-32(34)36(43)40-22-19-28-13-11-12-16-30(28)25-40/h8-18,23-24H,4-7,19-22,25-26H2,1-3H3
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UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254587
PNG
(1-(2-((S)-3-(aminomethyl)-1,2,3,4-tetrahydroisoqui...)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CN |r|
Show InChI InChI=1S/C30H38ClN5O2/c1-4-6-16-34(17-7-5-2)30(38)28-27(31)21(3)36(33-28)26-15-11-10-14-25(26)29(37)35-20-23-13-9-8-12-22(23)18-24(35)19-32/h8-15,24H,4-7,16-20,32H2,1-3H3/t24-/m0/s1
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UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254585
PNG
(1-(2-((S)-3-(aminomethyl)-1,2,3,4-tetrahydroisoqui...)
Show SMILES Cc1c(Cl)c(nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C34H30ClN5O2/c1-23-31(35)32(34(42)39(26-14-4-2-5-15-26)27-16-6-3-7-17-27)37-40(23)30-19-11-10-18-29(30)33(41)38-22-25-13-9-8-12-24(25)20-28(38)21-36/h2-19,28H,20-22,36H2,1H3/t28-/m0/s1
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UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254536
PNG
(1-(2-((S)-3-(aminomethyl)-1,2,3,4-tetrahydroisoqui...)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(NC(=O)COc2ccccc2)cc1C(=O)N1Cc2ccccc2C[C@H]1CN |r|
Show InChI InChI=1S/C38H45ClN6O4/c1-4-6-19-43(20-7-5-2)38(48)36-35(39)26(3)45(42-36)33-18-17-29(41-34(46)25-49-31-15-9-8-10-16-31)22-32(33)37(47)44-24-28-14-12-11-13-27(28)21-30(44)23-40/h8-18,22,30H,4-7,19-21,23-25,40H2,1-3H3,(H,41,46)/t30-/m0/s1
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UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254591
PNG
(CHEMBL504480 | N,N-dibutyl-4-chloro-5-methyl-1-(4-...)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(NC(=O)COc2ccccc2)cc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C37H42ClN5O4/c1-4-6-20-41(21-7-5-2)37(46)35-34(38)26(3)43(40-35)32-18-17-29(39-33(44)25-47-30-15-9-8-10-16-30)23-31(32)36(45)42-22-19-27-13-11-12-14-28(27)24-42/h8-18,23H,4-7,19-22,24-25H2,1-3H3,(H,39,44)
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UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254590
PNG
(CHEMBL449546 | N,N-dibutyl-4-chloro-5-methyl-1-(4-...)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(NC(=O)Cc2ccccc2)cc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C37H42ClN5O3/c1-4-6-20-41(21-7-5-2)37(46)35-34(38)26(3)43(40-35)32-18-17-30(39-33(44)23-27-13-9-8-10-14-27)24-31(32)36(45)42-22-19-28-15-11-12-16-29(28)25-42/h8-18,24H,4-7,19-23,25H2,1-3H3,(H,39,44)
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UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254583
PNG
(4-bromo-1-(2-((S)-3-(hydroxymethyl)-1,2,3,4-tetrah...)
Show SMILES Cc1c(Br)c(nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C34H29BrN4O3/c1-23-31(35)32(34(42)38(26-14-4-2-5-15-26)27-16-6-3-7-17-27)36-39(23)30-19-11-10-18-29(30)33(41)37-21-25-13-9-8-12-24(25)20-28(37)22-40/h2-19,28,40H,20-22H2,1H3/t28-/m0/s1
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UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254584
PNG
(4-chloro-1-(2-((S)-3-(hydroxymethyl)-1,2,3,4-tetra...)
Show SMILES Cc1c(Cl)c(nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C34H29ClN4O3/c1-23-31(35)32(34(42)38(26-14-4-2-5-15-26)27-16-6-3-7-17-27)36-39(23)30-19-11-10-18-29(30)33(41)37-21-25-13-9-8-12-24(25)20-28(37)22-40/h2-19,28,40H,20-22H2,1H3/t28-/m0/s1
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UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254588
PNG
(1-(4-amino-2-(1,2,3,4-tetrahydroisoquinoline-2-car...)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(N)cc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C29H36ClN5O2/c1-4-6-15-33(16-7-5-2)29(37)27-26(30)20(3)35(32-27)25-13-12-23(31)18-24(25)28(36)34-17-14-21-10-8-9-11-22(21)19-34/h8-13,18H,4-7,14-17,19,31H2,1-3H3
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UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254585
PNG
(1-(2-((S)-3-(aminomethyl)-1,2,3,4-tetrahydroisoqui...)
Show SMILES Cc1c(Cl)c(nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C34H30ClN5O2/c1-23-31(35)32(34(42)39(26-14-4-2-5-15-26)27-16-6-3-7-17-27)37-40(23)30-19-11-10-18-29(30)33(41)38-22-25-13-9-8-12-24(25)20-28(38)21-36/h2-19,28H,20-22,36H2,1H3/t28-/m0/s1
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UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254534
PNG
(CHEMBL467229 | N,N-dibutyl-4-chloro-1-(2-((S)-3-(h...)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C30H37ClN4O3/c1-4-6-16-33(17-7-5-2)30(38)28-27(31)21(3)35(32-28)26-15-11-10-14-25(26)29(37)34-19-23-13-9-8-12-22(23)18-24(34)20-36/h8-15,24,36H,4-7,16-20H2,1-3H3/t24-/m0/s1
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UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254524
PNG
(1-(2-((S)-3-(aminomethyl)-1,2,3,4-tetrahydroisoqui...)
Show SMILES Cc1cc(nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C34H31N5O2/c1-24-20-31(34(41)38(27-14-4-2-5-15-27)28-16-6-3-7-17-28)36-39(24)32-19-11-10-18-30(32)33(40)37-23-26-13-9-8-12-25(26)21-29(37)22-35/h2-20,29H,21-23,35H2,1H3/t29-/m0/s1
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UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254582
PNG
(5-methyl-1-(2-((R)-3-methyl-1,2,3,4-tetrahydroisoq...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(cc1C)C(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C34H30N4O2/c1-24-21-26-13-9-10-14-27(26)23-36(24)33(39)30-19-11-12-20-32(30)38-25(2)22-31(35-38)34(40)37(28-15-5-3-6-16-28)29-17-7-4-8-18-29/h3-20,22,24H,21,23H2,1-2H3/t24-/m1/s1
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UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254591
PNG
(CHEMBL504480 | N,N-dibutyl-4-chloro-5-methyl-1-(4-...)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(NC(=O)COc2ccccc2)cc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C37H42ClN5O4/c1-4-6-20-41(21-7-5-2)37(46)35-34(38)26(3)43(40-35)32-18-17-29(39-33(44)25-47-30-15-9-8-10-16-30)23-31(32)36(45)42-22-19-27-13-11-12-14-28(27)24-42/h8-18,23H,4-7,19-22,24-25H2,1-3H3,(H,39,44)
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UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254594
PNG
(2-(4-(3-(dibutylcarbamoyl)-5-methyl-1H-pyrazol-1-y...)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(OCC(O)=O)cc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C31H38N4O5/c1-4-6-15-33(16-7-5-2)31(39)27-18-22(3)35(32-27)28-13-12-25(40-21-29(36)37)19-26(28)30(38)34-17-14-23-10-8-9-11-24(23)20-34/h8-13,18-19H,4-7,14-17,20-21H2,1-3H3,(H,36,37)
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UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254531
PNG
(5-methyl-1-(2-((S)-3-((methylamino)methyl)-1,2,3,4...)
Show SMILES CNC[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(cc1C)C(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C35H33N5O2/c1-25-21-32(35(42)39(28-15-5-3-6-16-28)29-17-7-4-8-18-29)37-40(25)33-20-12-11-19-31(33)34(41)38-24-27-14-10-9-13-26(27)22-30(38)23-36-2/h3-21,30,36H,22-24H2,1-2H3/t30-/m0/s1
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UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254530
PNG
(1-(2-((S)-3-((dimethylamino)methyl)-1,2,3,4-tetrah...)
Show SMILES CN(C)C[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(cc1C)C(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C36H35N5O2/c1-26-22-33(36(43)40(29-16-6-4-7-17-29)30-18-8-5-9-19-30)37-41(26)34-21-13-12-20-32(34)35(42)39-24-28-15-11-10-14-27(28)23-31(39)25-38(2)3/h4-22,31H,23-25H2,1-3H3/t31-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254525
PNG
(1-(2-((S)-3-(methoxymethyl)-1,2,3,4-tetrahydroisoq...)
Show SMILES COC[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(cc1C)C(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C35H32N4O3/c1-25-21-32(35(41)38(28-15-5-3-6-16-28)29-17-7-4-8-18-29)36-39(25)33-20-12-11-19-31(33)34(40)37-23-27-14-10-9-13-26(27)22-30(37)24-42-2/h3-21,30H,22-24H2,1-2H3/t30-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254587
PNG
(1-(2-((S)-3-(aminomethyl)-1,2,3,4-tetrahydroisoqui...)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CN |r|
Show InChI InChI=1S/C30H38ClN5O2/c1-4-6-16-34(17-7-5-2)30(38)28-27(31)21(3)36(33-28)26-15-11-10-14-25(26)29(37)35-20-23-13-9-8-12-22(23)18-24(35)19-32/h8-15,24H,4-7,16-20,32H2,1-3H3/t24-/m0/s1
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UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254523
PNG
(1-(2-((S)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoq...)
Show SMILES Cc1cc(nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C34H30N4O3/c1-24-20-31(34(41)37(27-14-4-2-5-15-27)28-16-6-3-7-17-28)35-38(24)32-19-11-10-18-30(32)33(40)36-22-26-13-9-8-12-25(26)21-29(36)23-39/h2-20,29,39H,21-23H2,1H3/t29-/m0/s1
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UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254583
PNG
(4-bromo-1-(2-((S)-3-(hydroxymethyl)-1,2,3,4-tetrah...)
Show SMILES Cc1c(Br)c(nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C34H29BrN4O3/c1-23-31(35)32(34(42)38(26-14-4-2-5-15-26)27-16-6-3-7-17-27)36-39(23)30-19-11-10-18-29(30)33(41)37-21-25-13-9-8-12-24(25)20-28(37)22-40/h2-19,28,40H,20-22H2,1H3/t28-/m0/s1
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UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254533
PNG
(CHEMBL513318 | N,N-dibutyl-5-methyl-1-(2-(1,2,3,4-...)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccccc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C29H36N4O2/c1-4-6-17-31(18-7-5-2)29(35)26-20-22(3)33(30-26)27-15-11-10-14-25(27)28(34)32-19-16-23-12-8-9-13-24(23)21-32/h8-15,20H,4-7,16-19,21H2,1-3H3
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UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Bcl2-associated agonist of cell death


(Homo sapiens (Human))		BDBM50254587
PNG
(1-(2-((S)-3-(aminomethyl)-1,2,3,4-tetrahydroisoqui...)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CN |r|
Show InChI InChI=1S/C30H38ClN5O2/c1-4-6-16-34(17-7-5-2)30(38)28-27(31)21(3)36(33-28)26-15-11-10-14-25(26)29(37)35-20-23-13-9-8-12-22(23)18-24(35)19-32/h8-15,24H,4-7,16-20,32H2,1-3H3/t24-/m0/s1
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UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254592
PNG
(CHEMBL450954 | N,N-dibutyl-4-chloro-5-methyl-1-(4-...)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(NS(=O)(=O)Cc2ccccc2)cc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C36H42ClN5O4S/c1-4-6-20-40(21-7-5-2)36(44)34-33(37)26(3)42(38-34)32-18-17-30(39-47(45,46)25-27-13-9-8-10-14-27)23-31(32)35(43)41-22-19-28-15-11-12-16-29(28)24-41/h8-18,23,39H,4-7,19-22,24-25H2,1-3H3
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UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254590
PNG
(CHEMBL449546 | N,N-dibutyl-4-chloro-5-methyl-1-(4-...)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(NC(=O)Cc2ccccc2)cc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C37H42ClN5O3/c1-4-6-20-41(21-7-5-2)37(46)35-34(38)26(3)43(40-35)32-18-17-30(39-33(44)23-27-13-9-8-10-14-27)24-31(32)36(45)42-22-19-28-15-11-12-16-29(28)25-42/h8-18,24H,4-7,19-23,25H2,1-3H3,(H,39,44)
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UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254529
PNG
(CHEMBL453466 | methyl 2-((S)-2-(2-(3-(diphenylcarb...)
Show SMILES COC(=O)C[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(cc1C)C(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C36H32N4O4/c1-25-21-32(36(43)39(28-15-5-3-6-16-28)29-17-7-4-8-18-29)37-40(25)33-20-12-11-19-31(33)35(42)38-24-27-14-10-9-13-26(27)22-30(38)23-34(41)44-2/h3-21,30H,22-24H2,1-2H3/t30-/m0/s1
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UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254593
PNG
(1-[2-(3,4-Dihydro-1H-isoquinoline-2-carbonyl)-4-(2...)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(OCC(=O)c2ccccc2)cc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C37H42N4O4/c1-4-6-20-39(21-7-5-2)37(44)33-23-27(3)41(38-33)34-18-17-31(45-26-35(42)29-14-9-8-10-15-29)24-32(34)36(43)40-22-19-28-13-11-12-16-30(28)25-40/h8-18,23-24H,4-7,19-22,25-26H2,1-3H3
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UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254535
PNG
(1-(4-amino-2-((S)-3-(aminomethyl)-1,2,3,4-tetrahyd...)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(N)cc1C(=O)N1Cc2ccccc2C[C@H]1CN |r|
Show InChI InChI=1S/C30H39ClN6O2/c1-4-6-14-35(15-7-5-2)30(39)28-27(31)20(3)37(34-28)26-13-12-23(33)17-25(26)29(38)36-19-22-11-9-8-10-21(22)16-24(36)18-32/h8-13,17,24H,4-7,14-16,18-19,32-33H2,1-3H3/t24-/m0/s1
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UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Bcl2-associated agonist of cell death


(Homo sapiens (Human))		BDBM50254595
PNG
(CHEMBL502066 | N,N-dibutyl-5-methyl-1-(4-(2-(pheny...)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NC(=O)CSc2ccccc2)cc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C37H43N5O3S/c1-4-6-20-40(21-7-5-2)37(45)33-23-27(3)42(39-33)34-18-17-30(38-35(43)26-46-31-15-9-8-10-16-31)24-32(34)36(44)41-22-19-28-13-11-12-14-29(28)25-41/h8-18,23-24H,4-7,19-22,25-26H2,1-3H3,(H,38,43)
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UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254584
PNG
(4-chloro-1-(2-((S)-3-(hydroxymethyl)-1,2,3,4-tetra...)
Show SMILES Cc1c(Cl)c(nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C34H29ClN4O3/c1-23-31(35)32(34(42)38(26-14-4-2-5-15-26)27-16-6-3-7-17-27)36-39(23)30-19-11-10-18-29(30)33(41)37-21-25-13-9-8-12-24(25)20-28(37)22-40/h2-19,28,40H,20-22H2,1H3/t28-/m0/s1
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UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254596
PNG
(CHEMBL451856 | N,N-dibutyl-5-methyl-1-(4-(2-phenox...)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NC(=O)COc2ccccc2)cc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C37H43N5O4/c1-4-6-20-40(21-7-5-2)37(45)33-23-27(3)42(39-33)34-18-17-30(38-35(43)26-46-31-15-9-8-10-16-31)24-32(34)36(44)41-22-19-28-13-11-12-14-29(28)25-41/h8-18,23-24H,4-7,19-22,25-26H2,1-3H3,(H,38,43)
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UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254595
PNG
(CHEMBL502066 | N,N-dibutyl-5-methyl-1-(4-(2-(pheny...)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NC(=O)CSc2ccccc2)cc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C37H43N5O3S/c1-4-6-20-40(21-7-5-2)37(45)33-23-27(3)42(39-33)34-18-17-30(38-35(43)26-46-31-15-9-8-10-16-31)24-32(34)36(44)41-22-19-28-13-11-12-14-29(28)25-41/h8-18,23-24H,4-7,19-22,25-26H2,1-3H3,(H,38,43)
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UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254537
PNG
(1-(2-((S)-3-(aminomethyl)-1,2,3,4-tetrahydroisoqui...)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(NCc2ccncc2)cc1C(=O)N1Cc2ccccc2C[C@H]1CN |r|
Show InChI InChI=1S/C36H44ClN7O2/c1-4-6-18-42(19-7-5-2)36(46)34-33(37)25(3)44(41-34)32-13-12-29(40-23-26-14-16-39-17-15-26)21-31(32)35(45)43-24-28-11-9-8-10-27(28)20-30(43)22-38/h8-17,21,30,40H,4-7,18-20,22-24,38H2,1-3H3/t30-/m0/s1
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UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254588
PNG
(1-(4-amino-2-(1,2,3,4-tetrahydroisoquinoline-2-car...)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(N)cc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C29H36ClN5O2/c1-4-6-15-33(16-7-5-2)29(37)27-26(30)20(3)35(32-27)25-13-12-23(31)18-24(25)28(36)34-17-14-21-10-8-9-11-22(21)19-34/h8-13,18H,4-7,14-17,19,31H2,1-3H3
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n/an/a 700n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254526
PNG
(1-(2-((S)-3-(acetamidomethyl)-1,2,3,4-tetrahydrois...)
Show SMILES CC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(cc1C)C(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C36H33N5O3/c1-25-21-33(36(44)40(29-15-5-3-6-16-29)30-17-7-4-8-18-30)38-41(25)34-20-12-11-19-32(34)35(43)39-24-28-14-10-9-13-27(28)22-31(39)23-37-26(2)42/h3-21,31H,22-24H2,1-2H3,(H,37,42)/t31-/m0/s1
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n/an/a 730n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254534
PNG
(CHEMBL467229 | N,N-dibutyl-4-chloro-1-(2-((S)-3-(h...)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C30H37ClN4O3/c1-4-6-16-33(17-7-5-2)30(38)28-27(31)21(3)35(32-28)26-15-11-10-14-25(26)29(37)34-19-23-13-9-8-12-22(23)18-24(34)20-36/h8-15,24,36H,4-7,16-20H2,1-3H3/t24-/m0/s1
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n/an/a 780n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254522
PNG
(5-methyl-N,N-diphenyl-1-(2-(1,2,3,4-tetrahydroisoq...)
Show SMILES Cc1cc(nn1-c1ccccc1C(=O)N1CCc2ccccc2C1)C(=O)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H28N4O2/c1-24-22-30(33(39)36(27-14-4-2-5-15-27)28-16-6-3-7-17-28)34-37(24)31-19-11-10-18-29(31)32(38)35-21-20-25-12-8-9-13-26(25)23-35/h2-19,22H,20-21,23H2,1H3
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n/an/a 800n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Bcl2-associated agonist of cell death


(Homo sapiens (Human))		BDBM50254536
PNG
(1-(2-((S)-3-(aminomethyl)-1,2,3,4-tetrahydroisoqui...)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(NC(=O)COc2ccccc2)cc1C(=O)N1Cc2ccccc2C[C@H]1CN |r|
Show InChI InChI=1S/C38H45ClN6O4/c1-4-6-19-43(20-7-5-2)38(48)36-35(39)26(3)45(42-36)33-18-17-29(41-34(46)25-49-31-15-9-8-10-16-31)22-32(33)37(47)44-24-28-14-12-11-13-27(28)21-30(44)23-40/h8-18,22,30H,4-7,19-21,23-25,40H2,1-3H3,(H,41,46)/t30-/m0/s1
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n/an/a 808n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254589
PNG
(1-(4-benzamido-2-(1,2,3,4-tetrahydroisoquinoline-2...)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(NC(=O)c2ccccc2)cc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C36H40ClN5O3/c1-4-6-20-40(21-7-5-2)36(45)33-32(37)25(3)42(39-33)31-18-17-29(38-34(43)27-14-9-8-10-15-27)23-30(31)35(44)41-22-19-26-13-11-12-16-28(26)24-41/h8-18,23H,4-7,19-22,24H2,1-3H3,(H,38,43)
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n/an/a 810n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254527
PNG
(5-methyl-1-(2-((S)-3-(methylsulfonamidomethyl)-1,2...)
Show SMILES Cc1cc(nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CNS(C)(=O)=O)C(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C35H33N5O4S/c1-25-21-32(35(42)39(28-15-5-3-6-16-28)29-17-7-4-8-18-29)37-40(25)33-20-12-11-19-31(33)34(41)38-24-27-14-10-9-13-26(27)22-30(38)23-36-45(2,43)44/h3-21,30,36H,22-24H2,1-2H3/t30-/m0/s1
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n/an/a 1.05E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254521
PNG
(CHEMBL516633 | N-cyclohexyl-5-methyl-N-phenyl-1-(2...)
Show SMILES Cc1cc(nn1-c1ccccc1C(=O)N1CCc2ccccc2C1)C(=O)N(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C33H34N4O2/c1-24-22-30(33(39)36(27-14-4-2-5-15-27)28-16-6-3-7-17-28)34-37(24)31-19-11-10-18-29(31)32(38)35-21-20-25-12-8-9-13-26(25)23-35/h2,4-5,8-15,18-19,22,28H,3,6-7,16-17,20-21,23H2,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254576
PNG
(CHEMBL464268 | {2-[3-(3,4-Dihydro-1H-isoquinoline-...)
Show SMILES Cc1cc(nn1-c1ccccc1C(=O)N1CCc2ccccc2C1)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C30H28N4O2/c1-21-18-27(30(36)33-17-15-23-9-3-5-11-25(23)20-33)31-34(21)28-13-7-6-12-26(28)29(35)32-16-14-22-8-2-4-10-24(22)19-32/h2-13,18H,14-17,19-20H2,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Bcl2-associated agonist of cell death


(Homo sapiens (Human))		BDBM50254585
PNG
(1-(2-((S)-3-(aminomethyl)-1,2,3,4-tetrahydroisoqui...)
Show SMILES Cc1c(Cl)c(nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C34H30ClN5O2/c1-23-31(35)32(34(42)39(26-14-4-2-5-15-26)27-16-6-3-7-17-27)37-40(23)30-19-11-10-18-29(30)33(41)38-22-25-13-9-8-12-24(25)20-28(38)21-36/h2-19,28H,20-22,36H2,1H3/t28-/m0/s1
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n/an/a 1.61E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254580
PNG
(CHEMBL480009 | N-ethyl-5-methyl-N-phenyl-1-(2-(1,2...)
Show SMILES CCN(C(=O)c1cc(C)n(n1)-c1ccccc1C(=O)N1CCc2ccccc2C1)c1ccccc1
Show InChI InChI=1S/C29H28N4O2/c1-3-32(24-13-5-4-6-14-24)29(35)26-19-21(2)33(30-26)27-16-10-9-15-25(27)28(34)31-18-17-22-11-7-8-12-23(22)20-31/h4-16,19H,3,17-18,20H2,1-2H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254533
PNG
(CHEMBL513318 | N,N-dibutyl-5-methyl-1-(2-(1,2,3,4-...)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccccc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C29H36N4O2/c1-4-6-17-31(18-7-5-2)29(35)26-20-22(3)33(30-26)27-15-11-10-14-25(27)28(34)32-19-16-23-12-8-9-13-24(23)21-32/h8-15,20H,4-7,16-19,21H2,1-3H3
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n/an/a 2.01E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Bcl2-associated agonist of cell death


(Homo sapiens (Human))		BDBM50254584
PNG
(4-chloro-1-(2-((S)-3-(hydroxymethyl)-1,2,3,4-tetra...)
Show SMILES Cc1c(Cl)c(nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C34H29ClN4O3/c1-23-31(35)32(34(42)38(26-14-4-2-5-15-26)27-16-6-3-7-17-27)36-39(23)30-19-11-10-18-29(30)33(41)37-21-25-13-9-8-12-24(25)20-28(37)22-40/h2-19,28,40H,20-22H2,1H3/t28-/m0/s1
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n/an/a 2.28E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254578
PNG
(CHEMBL518858 | N-(3-fluorophenyl)-N,5-dimethyl-1-(...)
Show SMILES CN(C(=O)c1cc(C)n(n1)-c1ccccc1C(=O)N1CCc2ccccc2C1)c1cccc(F)c1
Show InChI InChI=1S/C28H25FN4O2/c1-19-16-25(28(35)31(2)23-11-7-10-22(29)17-23)30-33(19)26-13-6-5-12-24(26)27(34)32-15-14-20-8-3-4-9-21(20)18-32/h3-13,16-17H,14-15,18H2,1-2H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Bcl2-associated agonist of cell death


(Homo sapiens (Human))		BDBM50254590
PNG
(CHEMBL449546 | N,N-dibutyl-4-chloro-5-methyl-1-(4-...)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(NC(=O)Cc2ccccc2)cc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C37H42ClN5O3/c1-4-6-20-41(21-7-5-2)37(46)35-34(38)26(3)43(40-35)32-18-17-30(39-33(44)23-27-13-9-8-10-14-27)24-31(32)36(45)42-22-19-28-15-11-12-16-29(28)25-42/h8-18,24H,4-7,19-23,25H2,1-3H3,(H,39,44)
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n/an/a 2.37E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Bcl2-associated agonist of cell death


(Homo sapiens (Human))		BDBM50254591
PNG
(CHEMBL504480 | N,N-dibutyl-4-chloro-5-methyl-1-(4-...)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(NC(=O)COc2ccccc2)cc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C37H42ClN5O4/c1-4-6-20-41(21-7-5-2)37(46)35-34(38)26(3)43(40-35)32-18-17-29(39-33(44)25-47-30-15-9-8-10-16-30)23-31(32)36(45)42-22-19-27-13-11-12-14-28(27)24-42/h8-18,23H,4-7,19-22,24-25H2,1-3H3,(H,39,44)
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n/an/a 2.38E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Bcl2-associated agonist of cell death


(Homo sapiens (Human))		BDBM50254583
PNG
(4-bromo-1-(2-((S)-3-(hydroxymethyl)-1,2,3,4-tetrah...)
Show SMILES Cc1c(Br)c(nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C34H29BrN4O3/c1-23-31(35)32(34(42)38(26-14-4-2-5-15-26)27-16-6-3-7-17-27)36-39(23)30-19-11-10-18-29(30)33(41)37-21-25-13-9-8-12-24(25)20-28(37)22-40/h2-19,28,40H,20-22H2,1H3/t28-/m0/s1
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n/an/a 2.41E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254518
PNG
(CHEMBL466801 | N,5-dimethyl-N-phenyl-1-(2-(1,2,3,4...)
Show SMILES CN(C(=O)c1cc(C)n(n1)-c1ccccc1C(=O)N1CCc2ccccc2C1)c1ccccc1
Show InChI InChI=1S/C28H26N4O2/c1-20-18-25(28(34)30(2)23-12-4-3-5-13-23)29-32(20)26-15-9-8-14-24(26)27(33)31-17-16-21-10-6-7-11-22(21)19-31/h3-15,18H,16-17,19H2,1-2H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254579
PNG
(CHEMBL480008 | N-(2-fluorophenyl)-N,5-dimethyl-1-(...)
Show SMILES CN(C(=O)c1cc(C)n(n1)-c1ccccc1C(=O)N1CCc2ccccc2C1)c1ccccc1F
Show InChI InChI=1S/C28H25FN4O2/c1-19-17-24(28(35)31(2)26-14-8-6-12-23(26)29)30-33(19)25-13-7-5-11-22(25)27(34)32-16-15-20-9-3-4-10-21(20)18-32/h3-14,17H,15-16,18H2,1-2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Bcl2-associated agonist of cell death


(Homo sapiens (Human))		BDBM50254596
PNG
(CHEMBL451856 | N,N-dibutyl-5-methyl-1-(4-(2-phenox...)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NC(=O)COc2ccccc2)cc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C37H43N5O4/c1-4-6-20-40(21-7-5-2)37(45)33-23-27(3)42(39-33)34-18-17-30(38-35(43)26-46-31-15-9-8-10-16-31)24-32(34)36(44)41-22-19-28-13-11-12-14-29(28)25-41/h8-18,23-24H,4-7,19-22,25-26H2,1-3H3,(H,38,43)
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n/an/a 3.05E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254592
PNG
(CHEMBL450954 | N,N-dibutyl-4-chloro-5-methyl-1-(4-...)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(NS(=O)(=O)Cc2ccccc2)cc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C36H42ClN5O4S/c1-4-6-20-40(21-7-5-2)36(44)34-33(37)26(3)42(38-34)32-18-17-30(39-47(45,46)25-27-13-9-8-10-14-27)23-31(32)35(43)41-22-19-28-15-11-12-16-29(28)24-41/h8-18,23,39H,4-7,19-22,24-25H2,1-3H3
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n/an/a 3.15E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Bcl2-associated agonist of cell death


(Homo sapiens (Human))		BDBM50254593
PNG
(1-[2-(3,4-Dihydro-1H-isoquinoline-2-carbonyl)-4-(2...)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(OCC(=O)c2ccccc2)cc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C37H42N4O4/c1-4-6-20-39(21-7-5-2)37(44)33-23-27(3)41(38-33)34-18-17-31(45-26-35(42)29-14-9-8-10-15-29)24-32(34)36(43)40-22-19-28-13-11-12-16-30(28)25-40/h8-18,23-24H,4-7,19-22,25-26H2,1-3H3
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n/an/a 3.24E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254586
PNG
(4-bromo-N,N-diethyl-1-(2-((S)-3-(hydroxymethyl)-1,...)
Show SMILES CCN(CC)C(=O)c1nn(c(C)c1Br)-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C26H29BrN4O3/c1-4-29(5-2)26(34)24-23(27)17(3)31(28-24)22-13-9-8-12-21(22)25(33)30-15-19-11-7-6-10-18(19)14-20(30)16-32/h6-13,20,32H,4-5,14-16H2,1-3H3/t20-/m0/s1
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n/an/a 3.67E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Bcl2-associated agonist of cell death


(Homo sapiens (Human))		BDBM50254521
PNG
(CHEMBL516633 | N-cyclohexyl-5-methyl-N-phenyl-1-(2...)
Show SMILES Cc1cc(nn1-c1ccccc1C(=O)N1CCc2ccccc2C1)C(=O)N(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C33H34N4O2/c1-24-22-30(33(39)36(27-14-4-2-5-15-27)28-16-6-3-7-17-28)34-37(24)31-19-11-10-18-29(31)32(38)35-21-20-25-12-8-9-13-26(25)23-35/h2,4-5,8-15,18-19,22,28H,3,6-7,16-17,20-21,23H2,1H3
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n/an/a 4.11E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Bcl2-associated agonist of cell death


(Homo sapiens (Human))		BDBM50254587
PNG
(1-(2-((S)-3-(aminomethyl)-1,2,3,4-tetrahydroisoqui...)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CN |r|
Show InChI InChI=1S/C30H38ClN5O2/c1-4-6-16-34(17-7-5-2)30(38)28-27(31)21(3)36(33-28)26-15-11-10-14-25(26)29(37)35-20-23-13-9-8-12-22(23)18-24(35)19-32/h8-15,24H,4-7,16-20,32H2,1-3H3/t24-/m0/s1
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n/an/a 5.05E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Bcl2-associated agonist of cell death


(Homo sapiens (Human))		BDBM50254529
PNG
(CHEMBL453466 | methyl 2-((S)-2-(2-(3-(diphenylcarb...)
Show SMILES COC(=O)C[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(cc1C)C(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C36H32N4O4/c1-25-21-32(36(43)39(28-15-5-3-6-16-28)29-17-7-4-8-18-29)37-40(25)33-20-12-11-19-31(33)35(42)38-24-27-14-10-9-13-26(27)22-30(38)23-34(41)44-2/h3-21,30H,22-24H2,1-2H3/t30-/m0/s1
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n/an/a 5.17E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Bcl2-associated agonist of cell death


(Homo sapiens (Human))		BDBM50254582
PNG
(5-methyl-1-(2-((R)-3-methyl-1,2,3,4-tetrahydroisoq...)
Show SMILES C[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(cc1C)C(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C34H30N4O2/c1-24-21-26-13-9-10-14-27(26)23-36(24)33(39)30-19-11-12-20-32(30)38-25(2)22-31(35-38)34(40)37(28-15-5-3-6-16-28)29-17-7-4-8-18-29/h3-20,22,24H,21,23H2,1-2H3/t24-/m1/s1
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n/an/a 5.24E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Bcl2-associated agonist of cell death


(Homo sapiens (Human))		BDBM50254525
PNG
(1-(2-((S)-3-(methoxymethyl)-1,2,3,4-tetrahydroisoq...)
Show SMILES COC[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(cc1C)C(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C35H32N4O3/c1-25-21-32(35(41)38(28-15-5-3-6-16-28)29-17-7-4-8-18-29)36-39(25)33-20-12-11-19-31(33)34(40)37-23-27-14-10-9-13-26(27)22-30(37)24-42-2/h3-21,30H,22-24H2,1-2H3/t30-/m0/s1
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n/an/a 5.57E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254528
PNG
((3S)-ethyl 2-(2-(3-(diphenylcarbamoyl)-5-methyl-1H...)
Show SMILES CCOC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(cc1C)C(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C36H32N4O4/c1-3-44-36(43)33-23-26-14-10-11-15-27(26)24-38(33)34(41)30-20-12-13-21-32(30)40-25(2)22-31(37-40)35(42)39(28-16-6-4-7-17-28)29-18-8-5-9-19-29/h4-22,33H,3,23-24H2,1-2H3/t33-/m0/s1
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n/an/a 5.61E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Bcl2-associated agonist of cell death


(Homo sapiens (Human))		BDBM50254594
PNG
(2-(4-(3-(dibutylcarbamoyl)-5-methyl-1H-pyrazol-1-y...)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(OCC(O)=O)cc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C31H38N4O5/c1-4-6-15-33(16-7-5-2)31(39)27-18-22(3)35(32-27)28-13-12-25(40-21-29(36)37)19-26(28)30(38)34-17-14-23-10-8-9-11-24(23)20-34/h8-13,18-19H,4-7,14-17,20-21H2,1-3H3,(H,36,37)
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n/an/a 5.64E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254589
PNG
(1-(4-benzamido-2-(1,2,3,4-tetrahydroisoquinoline-2...)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(NC(=O)c2ccccc2)cc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C36H40ClN5O3/c1-4-6-20-40(21-7-5-2)36(45)33-32(37)25(3)42(39-33)31-18-17-29(38-34(43)27-14-9-8-10-15-27)23-30(31)35(44)41-22-19-26-13-11-12-16-28(26)24-41/h8-18,23H,4-7,19-22,24H2,1-3H3,(H,38,43)
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n/an/a 5.66E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Bcl2-associated agonist of cell death


(Homo sapiens (Human))		BDBM50254535
PNG
(1-(4-amino-2-((S)-3-(aminomethyl)-1,2,3,4-tetrahyd...)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(N)cc1C(=O)N1Cc2ccccc2C[C@H]1CN |r|
Show InChI InChI=1S/C30H39ClN6O2/c1-4-6-14-35(15-7-5-2)30(39)28-27(31)20(3)37(34-28)26-13-12-23(33)17-25(26)29(38)36-19-22-11-9-8-10-21(22)16-24(36)18-32/h8-13,17,24H,4-7,14-16,18-19,32-33H2,1-3H3/t24-/m0/s1
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n/an/a 6.16E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Bcl2-associated agonist of cell death


(Homo sapiens (Human))		BDBM50254530
PNG
(1-(2-((S)-3-((dimethylamino)methyl)-1,2,3,4-tetrah...)
Show SMILES CN(C)C[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(cc1C)C(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C36H35N5O2/c1-26-22-33(36(43)40(29-16-6-4-7-17-29)30-18-8-5-9-19-30)37-41(26)34-21-13-12-20-32(34)35(42)39-24-28-15-11-10-14-27(28)23-31(39)25-38(2)3/h4-22,31H,23-25H2,1-3H3/t31-/m0/s1
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n/an/a 6.79E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Bcl2-associated agonist of cell death


(Homo sapiens (Human))		BDBM50254534
PNG
(CHEMBL467229 | N,N-dibutyl-4-chloro-1-(2-((S)-3-(h...)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C30H37ClN4O3/c1-4-6-16-33(17-7-5-2)30(38)28-27(31)21(3)35(32-28)26-15-11-10-14-25(26)29(37)34-19-23-13-9-8-12-22(23)18-24(34)20-36/h8-15,24,36H,4-7,16-20H2,1-3H3/t24-/m0/s1
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n/an/a 6.94E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254581
PNG
(CHEMBL480010 | N-isopropyl-5-methyl-N-phenyl-1-(2-...)
Show SMILES CC(C)N(C(=O)c1cc(C)n(n1)-c1ccccc1C(=O)N1CCc2ccccc2C1)c1ccccc1
Show InChI InChI=1S/C30H30N4O2/c1-21(2)33(25-13-5-4-6-14-25)30(36)27-19-22(3)34(31-27)28-16-10-9-15-26(28)29(35)32-18-17-23-11-7-8-12-24(23)20-32/h4-16,19,21H,17-18,20H2,1-3H3
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n/an/a 7.70E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Bcl2-associated agonist of cell death


(Homo sapiens (Human))		BDBM50254588
PNG
(1-(4-amino-2-(1,2,3,4-tetrahydroisoquinoline-2-car...)
Show SMILES CCCCN(CCCC)C(=O)c1nn(c(C)c1Cl)-c1ccc(N)cc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C29H36ClN5O2/c1-4-6-15-33(16-7-5-2)29(37)27-26(30)20(3)35(32-27)25-13-12-23(31)18-24(25)28(36)34-17-14-21-10-8-9-11-22(21)19-34/h8-13,18H,4-7,14-17,19,31H2,1-3H3
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n/an/a 7.99E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Bcl2-associated agonist of cell death


(Homo sapiens (Human))		BDBM50254526
PNG
(1-(2-((S)-3-(acetamidomethyl)-1,2,3,4-tetrahydrois...)
Show SMILES CC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(cc1C)C(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C36H33N5O3/c1-25-21-33(36(44)40(29-15-5-3-6-16-29)30-17-7-4-8-18-30)38-41(25)34-20-12-11-19-32(34)35(43)39-24-28-14-10-9-13-27(28)22-31(39)23-37-26(2)42/h3-21,31H,22-24H2,1-2H3,(H,37,42)/t31-/m0/s1
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n/an/a 9.69E+3n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254519
PNG
(CHEMBL469305 | N-(4-fluorophenyl)-N,5-dimethyl-1-(...)
Show SMILES CN(C(=O)c1cc(C)n(n1)-c1ccccc1C(=O)N1CCc2ccccc2C1)c1ccc(F)cc1
Show InChI InChI=1S/C28H25FN4O2/c1-19-17-25(28(35)31(2)23-13-11-22(29)12-14-23)30-33(19)26-10-6-5-9-24(26)27(34)32-16-15-20-7-3-4-8-21(20)18-32/h3-14,17H,15-16,18H2,1-2H3
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n/an/a 1.07E+4n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Bcl2-associated agonist of cell death


(Homo sapiens (Human))		BDBM50254524
PNG
(1-(2-((S)-3-(aminomethyl)-1,2,3,4-tetrahydroisoqui...)
Show SMILES Cc1cc(nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C34H31N5O2/c1-24-20-31(34(41)38(27-14-4-2-5-15-27)28-16-6-3-7-17-28)36-39(24)32-19-11-10-18-30(32)33(40)37-23-26-13-9-8-12-25(26)21-29(37)22-35/h2-20,29H,21-23,35H2,1H3/t29-/m0/s1
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n/an/a 1.14E+4n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Bcl2-associated agonist of cell death


(Homo sapiens (Human))		BDBM50254522
PNG
(5-methyl-N,N-diphenyl-1-(2-(1,2,3,4-tetrahydroisoq...)
Show SMILES Cc1cc(nn1-c1ccccc1C(=O)N1CCc2ccccc2C1)C(=O)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H28N4O2/c1-24-22-30(33(39)36(27-14-4-2-5-15-27)28-16-6-3-7-17-28)34-37(24)31-19-11-10-18-29(31)32(38)35-21-20-25-12-8-9-13-26(25)23-35/h2-19,22H,20-21,23H2,1H3
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n/an/a 1.24E+4n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Bcl2-associated agonist of cell death


(Homo sapiens (Human))		BDBM50254531
PNG
(5-methyl-1-(2-((S)-3-((methylamino)methyl)-1,2,3,4...)
Show SMILES CNC[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(cc1C)C(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C35H33N5O2/c1-25-21-32(35(42)39(28-15-5-3-6-16-28)29-17-7-4-8-18-29)37-40(25)33-20-12-11-19-31(33)34(41)38-24-27-14-10-9-13-26(27)22-30(38)23-36-2/h3-21,30,36H,22-24H2,1-2H3/t30-/m0/s1
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n/an/a 1.26E+4n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Bcl2-associated agonist of cell death


(Homo sapiens (Human))		BDBM50254576
PNG
(CHEMBL464268 | {2-[3-(3,4-Dihydro-1H-isoquinoline-...)
Show SMILES Cc1cc(nn1-c1ccccc1C(=O)N1CCc2ccccc2C1)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C30H28N4O2/c1-21-18-27(30(36)33-17-15-23-9-3-5-11-25(23)20-33)31-34(21)28-13-7-6-12-26(28)29(35)32-16-14-22-8-2-4-10-24(22)19-32/h2-13,18H,14-17,19-20H2,1H3
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n/an/a 1.66E+4n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254586
PNG
(4-bromo-N,N-diethyl-1-(2-((S)-3-(hydroxymethyl)-1,...)
Show SMILES CCN(CC)C(=O)c1nn(c(C)c1Br)-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CO |r|
Show InChI InChI=1S/C26H29BrN4O3/c1-4-29(5-2)26(34)24-23(27)17(3)31(28-24)22-13-9-8-12-21(22)25(33)30-15-19-11-7-6-10-18(19)14-20(30)16-32/h6-13,20,32H,4-5,14-16H2,1-3H3/t20-/m0/s1
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n/an/a 1.73E+4n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Bcl2-associated agonist of cell death


(Homo sapiens (Human))		BDBM50254528
PNG
((3S)-ethyl 2-(2-(3-(diphenylcarbamoyl)-5-methyl-1H...)
Show SMILES CCOC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(cc1C)C(=O)N(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C36H32N4O4/c1-3-44-36(43)33-23-26-14-10-11-15-27(26)24-38(33)34(41)30-20-12-13-21-32(30)40-25(2)22-31(37-40)35(42)39(28-16-6-4-7-17-28)29-18-8-5-9-19-29/h4-22,33H,3,23-24H2,1-2H3/t33-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Bcl2-associated agonist of cell death


(Homo sapiens (Human))		BDBM50254533
PNG
(CHEMBL513318 | N,N-dibutyl-5-methyl-1-(2-(1,2,3,4-...)
Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccccc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C29H36N4O2/c1-4-6-17-31(18-7-5-2)29(35)26-20-22(3)33(30-26)27-15-11-10-14-25(27)28(34)32-19-16-23-12-8-9-13-24(23)21-32/h8-15,20H,4-7,16-19,21H2,1-3H3
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n/an/a 2.52E+4n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-xL (unknown origin) binding to biotinylated 26 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))		BDBM50254577
PNG
(5-methyl-N-phenyl-1-(2-(1,2,3,4-tetrahydroisoquino...)
Show SMILES Cc1cc(nn1-c1ccccc1C(=O)N1CCc2ccccc2C1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H24N4O2/c1-19-17-24(26(32)28-22-11-3-2-4-12-22)29-31(19)25-14-8-7-13-23(25)27(33)30-16-15-20-9-5-6-10-21(20)18-30/h2-14,17H,15-16,18H2,1H3,(H,28,32)
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n/an/a 5.00E+4n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibition of GST fused Bcl-2 (unknown origin) binding to biotinylated 16 mer Bak-BH3 peptide by HTRF-LANCE assay

Bioorg Med Chem Lett 19: 230-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.113
BindingDB Entry DOI: 10.7270/Q29023MG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%